SCHEMBL4150385

SCHEMBL4150385

C=Cc1cccc(C)c1-c1cc(C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
CYP2A6 P11509 1/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
METAP2 P50579 1/20 0.37
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
UHRF1 Q96T88 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
GRM5 P41594 1/20 0.33
PLAU P00749 1/20 0.33
ABL1 P00519 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27738967 0.84 CCR1 (0.42) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL24729161 0.83 CCR1 (0.64) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL4151216 0.82 KDM4E (0.43) CCR1CCR5CCR8KDM4ENOS3
SCHEMBL18516195 0.78 CCR1 (0.52) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL4159050 0.73 CYP2A6 (0.43) CYP2A6KDM4ENOS3NOS1NOS2
SCHEMBL18809327 0.71 CCR1 (0.61) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL26055298 0.69 CCR1 (0.59) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL29481396 0.69 CCR1 (0.65) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL1149763 0.69 CCR1 (0.65) CCR1CCR5CCR8CYP2A6KMT2A
SCHEMBL29397106 0.69 CCR1 (1.00) CCR1CCR5CCR8CYP2A6KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT CCR1 524/4885CCR5 1735/4885CCR8 1669/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.